Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 605.8 BDBM50313882

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50313882 (5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2...) Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)cc(nc1C)C#N |r| Show InChI InChI=1S/C35H51N5O4/c1-5-6-7-29-23-39(20-26-8-14-43-15-9-26)33(42)44-35(29)10-12-40(13-11-35)34(4)17-27-21-38(22-28(27)18-34)32(41)31-24(2)16-30(19-36)37-25(31)3/h16,26-29H,5-15,17-18,20-23H2,1-4H3/t27-,28+,29-,34?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells				Bioorg Med Chem Lett 20: 1830-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.004 BindingDB Entry DOI: 10.7270/Q25Q4W7T
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